(4R)-8-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)-2-fluoro-2-methyl-8-azaspiro[4.5]decan-4-amine

C16H21BrFN5 — CID 158169477

IUPAC(4R)-8-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)-2-fluoro-2-methyl-8-azaspiro[4.5]decan-4-amine
SMILESCC1(F)C[C@@H](N)C2(CCN(c3ncc(Br)c4nccn34)CC2)C1
InChIInChI=1S/C16H21BrFN5/c1-15(18)8-12(19)16(10-15)2-5-22(6-3-16)14-21-9-11(17)13-20-4-7-23(13)14/h4,7,9,12H,2-3,5-6,8,10,19H2,1H3/t12-,15?/m1/s1
InChIKeyRDCDWNFMRQYSBL-KEKZHRQWSA-N
MW382.28 g/mol
LogP2.93
Rot. Bonds1

About (4R)-8-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)-2-fluoro-2-methyl-8-azaspiro[4.5]decan-4-amine

(4R)-8-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)-2-fluoro-2-methyl-8-azaspiro[4.5]decan-4-amine (PubChem CID 158169477) has the molecular formula C16H21BrFN5 and a molecular weight of 382.28 g/mol. Its IUPAC name is (4R)-8-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)-2-fluoro-2-methyl-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name(4R)-8-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)-2-fluoro-2-methyl-8-azaspiro[4.5]decan-4-amine
PubChem CID158169477
Molecular FormulaC16H21BrFN5
Molecular Weight382.28 g/mol
Exact Mass381.10
IUPAC Name(4R)-8-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)-2-fluoro-2-methyl-8-azaspiro[4.5]decan-4-amine
SMILESCC1(F)C[C@@H](N)C2(CCN(c3ncc(Br)c4nccn34)CC2)C1
InChIInChI=1S/C16H21BrFN5/c1-15(18)8-12(19)16(10-15)2-5-22(6-3-16)14-21-9-11(17)13-20-4-7-23(13)14/h4,7,9,12H,2-3,5-6,8,10,19H2,1H3/t12-,15?/m1/s1
InChIKeyRDCDWNFMRQYSBL-KEKZHRQWSA-N
XLogP2.93
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.28
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-bromo-5-(3-methylpyrrolidin-1-yl)imidazo[1,2-c]pyrimidine
CID 157322823
1'-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)spiro[3H-indene-2,4'-piperidine]-1-one
CID 146482643
[4-methyl-1-(8-methylimidazo[1,2-c]pyrimidin-5-yl)piperidin-4-yl]methanamine
CID 155420985
(R)-N-[1'-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-3'-yl]-2-methylpropane-2-sulfinamide
CID 146482878
(4R)-2,2-difluoro-8-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
CID 164743590
(2R,4R)-2-fluoro-8-(8-iodo-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine
CID 139427465
(4R)-8-(8-pyridin-2-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine
CID 139427263
(4R)-8-[8-(2,6-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
CID 139427633
9-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-ethylsulfonyl-3,9-diazaspiro[5.5]undecan-5-amine
CID 171782764
(3S,4S)-8-[8-(2,3-dichlorophenoxy)imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 146467089
(R)-N-[1'-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)spiro[3H-indene-2,4'-piperidine]-1-ylidene]-2-methylpropane-2-sulfinamide
CID 152808917
8-[8-(3-chloropyridazin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
CID 175751480

Frequently Asked Questions

What is the IUPAC name of (4R)-8-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)-2-fluoro-2-methyl-8-azaspiro[4.5]decan-4-amine?
The IUPAC name of (4R)-8-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)-2-fluoro-2-methyl-8-azaspiro[4.5]decan-4-amine (CID 158169477) is (4R)-8-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)-2-fluoro-2-methyl-8-azaspiro[4.5]decan-4-amine.
What is the SMILES notation for (4R)-8-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)-2-fluoro-2-methyl-8-azaspiro[4.5]decan-4-amine?
The canonical SMILES for (4R)-8-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)-2-fluoro-2-methyl-8-azaspiro[4.5]decan-4-amine is CC1(F)C[C@@H](N)C2(CCN(c3ncc(Br)c4nccn34)CC2)C1.
What is the InChIKey of (4R)-8-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)-2-fluoro-2-methyl-8-azaspiro[4.5]decan-4-amine?
The InChIKey is RDCDWNFMRQYSBL-KEKZHRQWSA-N. The full InChI is InChI=1S/C16H21BrFN5/c1-15(18)8-12(19)16(10-15)2-5-22(6-3-16)14-21-9-11(17)13-20-4-7-23(13)14/h4,7,9,12H,2-3,5-6,8,10,19H2,1H3/t12-,15?/m1/s1.
What are the key properties of (4R)-8-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)-2-fluoro-2-methyl-8-azaspiro[4.5]decan-4-amine?
(4R)-8-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)-2-fluoro-2-methyl-8-azaspiro[4.5]decan-4-amine has a molecular weight of 382.28 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)-2-fluoro-2-methyl-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 158169477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).